2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine

C16H36N4 — CID 62886437

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H36N4/c1-4-5-6-7-8-16(15-17)20-13-11-19(12-14-20)10-9-18(2)3/h16H,4-15,17H2,1-3H3
InChIKeyKJSZCRBNZPVPES-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.46
Rot. Bonds10

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine (PubChem CID 62886437) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
PubChem CID62886437
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H36N4/c1-4-5-6-7-8-16(15-17)20-13-11-19(12-14-20)10-9-18(2)3/h16H,4-15,17H2,1-3H3
InChIKeyKJSZCRBNZPVPES-UHFFFAOYSA-N
XLogP1.46
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
N,N-dimethyl-2-[4-[(7Z,10Z,29Z,32Z)-nonatriaconta-7,10,29,32-tetraen-20-yl]piperazin-1-yl]ethanamine
CID 138486929
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,4-dimethylpentan-1-amine
CID 62951340
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
CID 43362658
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
6-[4-(1-aminopentan-2-yl)piperazin-1-yl]hexan-1-ol
CID 107703012
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
CID 62885238
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine (CID 62886437) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine is CCCCCCC(CN)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine?
The InChIKey is KJSZCRBNZPVPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-4-5-6-7-8-16(15-17)20-13-11-19(12-14-20)10-9-18(2)3/h16H,4-15,17H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine is sourced from PubChem (CID 62886437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).